CAS RN: 1771023-28-9
1771023-28-9
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260407 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1771023-28-9
- Purity/Analytical Methods: >99.0%
1771023-28-9 / 4-bromo-2-fluoro-N-(4-iodophenyl)benzenesulfonamide
Basic Information
CAS
1771023-28-9
Multi CAS
No
Molecular Formula
C12H8BrFINO2S
Molecular Weight
456.070000
Exact Mass
454.848790
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=C(C=C(C=C2)Br)F)I
InChI
InChI=1S/C12H8BrFINO2S/c13-8-1-6-12(11(14)7-8)19(17,18)16-10-4-2-9(15)3-5-10/h1-7,16H
InChIKey
YUNSIGBWAIGCGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.07
TPSA
46.17
LogP / Solubility
WLOGP
3.99
MLOGP
3.55
XLogP3
3.9
Consensus LogP
3.81
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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